ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate

C20H38O4Si — CID 15678447

IUPACethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate
SMILESCCCCOC1CC(C(=O)OCC)C2(O[Si](C)(C)C)CCCCCC12
InChIInChI=1S/C20H38O4Si/c1-6-8-14-23-18-15-17(19(21)22-7-2)20(24-25(3,4)5)13-11-9-10-12-16(18)20/h16-18H,6-15H2,1-5H3
InChIKeyOKWOWVBEKFBGBK-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.93
Rot. Bonds8

About ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate

ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate (PubChem CID 15678447) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate
PubChem CID15678447
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Nameethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate
SMILESCCCCOC1CC(C(=O)OCC)C2(O[Si](C)(C)C)CCCCCC12
InChIInChI=1S/C20H38O4Si/c1-6-8-14-23-18-15-17(19(21)22-7-2)20(24-25(3,4)5)13-11-9-10-12-16(18)20/h16-18H,6-15H2,1-5H3
InChIKeyOKWOWVBEKFBGBK-UHFFFAOYSA-N
XLogP4.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-oxocyclopentane-1-carboxylate
CID 134906162
methyl (1S,2S,3aS,5S,6S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-[(2-methylpropan-2-yl)oxy]-8-oxo-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene-2-carboxylate
CID 10938846
methyl 2-[(1R,2R,3S,5R)-2-(7-methoxyheptyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834154
ethyl (2R,3R,3aS,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-4-oxo-2,3,3a,5,6,7,8,8a-octahydro-1H-azulene-5-carboxylate
CID 9999983
ethyl (2S,3R,3aS,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-4-oxo-2,3,3a,5,6,7,8,8a-octahydro-1H-azulene-5-carboxylate
CID 10022809
ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
CID 10575965
(3S,3aS,6R,6aR,8S,9S,9aS,9bS)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 10874127
(3S,3aS,6R,6aR,8S,9S,9aS,9bS)-3,6,9-trimethyl-6,8-bis(trimethylsilyloxy)-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 11090935
[(2S,3S,3aS,4R,8R,8aR)-2-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-5-oxo-8-trimethylsilyloxy-1,2,3,3a,4,6,7,8a-octahydroazulen-4-yl] 2-oxopropanoate
CID 11102950
(1R,2S,3aS,5S,6S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-[(2-methylpropan-2-yl)oxy]-8-oxo-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene-2-carbaldehyde
CID 11112071
Ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate
CID 15678446
Methyl 3,5-bis(acetyloxy)-2-{[(trimethylsilyl)oxy]methyl}cyclopentane-1-carboxylate
CID 53439513

Frequently Asked Questions

What is the IUPAC name of ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate?
The IUPAC name of ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate (CID 15678447) is ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate.
What is the SMILES notation for ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate?
The canonical SMILES for ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate is CCCCOC1CC(C(=O)OCC)C2(O[Si](C)(C)C)CCCCCC12.
What is the InChIKey of ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate?
The InChIKey is OKWOWVBEKFBGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-6-8-14-23-18-15-17(19(21)22-7-2)20(24-25(3,4)5)13-11-9-10-12-16(18)20/h16-18H,6-15H2,1-5H3.
What are the key properties of ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate?
ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate has a molecular weight of 370.61 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate is sourced from PubChem (CID 15678447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).